Compound Detail
CHEMBL1421970
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Basic Information
| ChEMBL ID | CHEMBL1421970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJRQKFAWYAJZSS-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.15
ALogP
4
HBA
2
HBD
81.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 6.51 | 5.8933 | 312.0 | 3 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 5 CHEMBL2007628 | IC50 | 5.33 | 5.33 | 4650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 312.0 | nM | 6.51 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched P... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 1810.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched P... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 1900.0 | nM | 5.72 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 3560.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| Tyrosine-protein phosphatase non-receptor type 5 | IC50 | = | 4650.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine